SCHEMBL31411697

SCHEMBL31411697

O=C(Nc1c[nH]c2ccccc12)c1cc2c(s1)N(Cc1ccccc1)C(=O)CS2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DHPS P49366 1/20 0.37
STING1 Q86WV6 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 1/20 0.36
MAPK14 Q16539 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31411750 0.86 STING1 (0.42) SIRT2MAPTLMNAGSK3AGSK3B
SCHEMBL31411822 0.85 SIRT2 (0.39) SIRT2MAPTLMNAGSK3AGSK3B
SCHEMBL31411674 0.82 MAPT (0.50) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL31411677 0.82 MAPT (0.57) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL31411650 0.78 GSK3A (0.54) MAPTLMNAGSK3AGSK3BSMN1; SMN2
SCHEMBL25138317 0.78 STING1 (0.49) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL30882832 0.78 STING1 (0.49) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL29979063 0.78 STING1 (0.49) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL25037393 0.78 STING1 (0.49) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL31411624 0.77 DHPS (0.35) DHPSSTING1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed